General Information of the Compound
Compound ID
CP0864826
Compound Name
5-methyl-4-(naphthalen-2-yl)-1H-pyrazol-3-amine
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Structure
Formula
C14H13N3
Molecular Weight
223.279
Canonical SMILES
Cc1[nH]nc(N)c1-c1ccc2ccccc2c1
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InChI
InChI=1S/C14H13N3/c1-9-13(14(15)17-16-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,15,16,17)
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InChIKey
OLSXZQGKTNNHGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.12052
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 145991401
ChEMBL ID
CHEMBL4288356
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 42800 nM
   TI
   LI
   LO
   TS
Protein ID: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS